N-ethyl-N-[4-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide

C13H19N5OS3 — CID 2536790

IUPACN-ethyl-N-[4-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CSc2nnc(NC(C)C)s2)cs1
InChIInChI=1S/C13H19N5OS3/c1-5-18(9(4)19)12-15-10(6-20-12)7-21-13-17-16-11(22-13)14-8(2)3/h6,8H,5,7H2,1-4H3,(H,14,16)
InChIKeyMYAIDYCNLTUAQH-UHFFFAOYSA-N
MW357.53 g/mol
LogP3.48
Rot. Bonds7

About N-ethyl-N-[4-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide

N-ethyl-N-[4-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 2536790) has the molecular formula C13H19N5OS3 and a molecular weight of 357.53 g/mol. Its IUPAC name is N-ethyl-N-[4-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID2536790
Molecular FormulaC13H19N5OS3
Molecular Weight357.53 g/mol
Exact Mass357.08
IUPAC NameN-ethyl-N-[4-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CSc2nnc(NC(C)C)s2)cs1
InChIInChI=1S/C13H19N5OS3/c1-5-18(9(4)19)12-15-10(6-20-12)7-21-13-17-16-11(22-13)14-8(2)3/h6,8H,5,7H2,1-4H3,(H,14,16)
InChIKeyMYAIDYCNLTUAQH-UHFFFAOYSA-N
XLogP3.48
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.53
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[4-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (CID 2536790) is N-ethyl-N-[4-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[4-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[4-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is CCN(C(C)=O)c1nc(CSc2nnc(NC(C)C)s2)cs1.
What is the InChIKey of N-ethyl-N-[4-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is MYAIDYCNLTUAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS3/c1-5-18(9(4)19)12-15-10(6-20-12)7-21-13-17-16-11(22-13)14-8(2)3/h6,8H,5,7H2,1-4H3,(H,14,16).
What are the key properties of N-ethyl-N-[4-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
N-ethyl-N-[4-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 357.53 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 2536790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).